2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole supplier

Name
2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole
EINECS
CAS No. 165670-57-5
Article Data3
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point 51℃
Formula C₁₆H₁₆N₄
Boiling Point 434.8 °C at 760 mmHg
Molecular Weight 264.33
Flash Point 216.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cumyl-5-phenyltetrazole;
PSA 43.60000
LogP 3.12350

2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole Specification

The 2H-Tetrazole,2-(1-methyl-1-phenylethyl)-5-phenyl-, with CAS registry number 165670-57-5, has the systematic name of 5-phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole. Besides this, it is also called 2-(1-methyl-1-phenylethyl)-5-phenyl-2H-Tetrazole. And the chemical formula of this chemical is C₁₆H₁₆N₄.

Physical properties of 2H-Tetrazole,2-(1-methyl-1-phenylethyl)-5-phenyl-: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 518.5; (6)ACD/BCF (pH 7.4): 518.5; (7)ACD/KOC (pH 5.5): 3053.66; (8)ACD/KOC (pH 7.4): 3053.67; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 81.91 cm³; (15)Molar Volume: 233.2 cm³; (16)Polarizability: 32.47×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 216.8 °C; (20)Enthalpy of Vaporization: 69.1 kJ/mol; (21)Boiling Point: 434.8 °C at 760 mmHg; (22)Vapour Pressure: 9.18E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnn1C(c2ccccc2)(C)C)c3ccccc3
(2)InChI: InChI=1/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3
(3)InChIKey: IRWNVNYVNZBWDD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3
(5)Std. InChIKey: IRWNVNYVNZBWDD-UHFFFAOYSA-N

Product Name

2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole

2-(1-Methyl-1-phenylethyl)-5-phenyl-2H-tetrazole Specification

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